Hi Gozde,
Correct, you should not use constraint surface tension with Lipid14. That means an NPT simulation with anisotropic pressure coupling is the ideal approach for Lipid14.
The input file does not need the "ninterface" setting without constant surface tension.
Also be aware that Amber 14 now supports two types of barostats: the Berendsen and the Monte-Carlo barostat. These can be changed with the "barostat" parameter.
All the best,
Ben Madej
UCSD Chemistry and Biochemistry
SDSC
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Received on Mon Jun 30 2014 - 14:30:02 PDT
